The Research And Application Of Chemoinformatics In Environment And Biology

The research area of chemoinformatics is very wide and the content is abundant. It all belongs to chemoinformatics that Chemistry experiment design and optimization, analytical signal treatment, chemical pattern recognition, model and parameter estimate, data resolution, process simulation, artificial intelligence, Information Retrieval, laboratory automatization, etc. The development of chemoinformatics is fit for all the other branch subjects, especially for analytical chemistry, environmental chemistry, pharmaceutical chemistry, organic chemistry, chemical engineering. It was applicated in the data treatment of environment and biology in this paper.Model was set up for water environment quality evaluation of Han city Mulberry Ping coal mine, based on water quality national standard of groundwater. Compared with the results of other methods, it shows that Projection Pursuit Technology is not only objectivity and practicability for water environment quality evaluation , but also can be applied to comprehensive evaluation of other environmental quality.The main idea and algorithm of the projection pursuit regression ( PPR) based on immune evolutionary algorithm ( IEA) are also introduced to study the data of the Dongguan's precipitation of 2003. The model of PPR was built to predict the pH...